4-(2-tert-butylmorpholin-4-yl)butan-1-amine

C12H26N2O — CID 70646078

IUPAC4-(2-tert-butylmorpholin-4-yl)butan-1-amine
SMILESCC(C)(C)C1CN(CCCCN)CCO1
InChIInChI=1S/C12H26N2O/c1-12(2,3)11-10-14(8-9-15-11)7-5-4-6-13/h11H,4-10,13H2,1-3H3
InChIKeyLVCKEJHTUOQYRF-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds4

About 4-(2-tert-butylmorpholin-4-yl)butan-1-amine

4-(2-tert-butylmorpholin-4-yl)butan-1-amine (PubChem CID 70646078) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-(2-tert-butylmorpholin-4-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2-tert-butylmorpholin-4-yl)butan-1-amine
PubChem CID70646078
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-(2-tert-butylmorpholin-4-yl)butan-1-amine
SMILESCC(C)(C)C1CN(CCCCN)CCO1
InChIInChI=1S/C12H26N2O/c1-12(2,3)11-10-14(8-9-15-11)7-5-4-6-13/h11H,4-10,13H2,1-3H3
InChIKeyLVCKEJHTUOQYRF-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylmorpholin-4-yl)butan-1-amine?
The IUPAC name of 4-(2-tert-butylmorpholin-4-yl)butan-1-amine (CID 70646078) is 4-(2-tert-butylmorpholin-4-yl)butan-1-amine.
What is the SMILES notation for 4-(2-tert-butylmorpholin-4-yl)butan-1-amine?
The canonical SMILES for 4-(2-tert-butylmorpholin-4-yl)butan-1-amine is CC(C)(C)C1CN(CCCCN)CCO1.
What is the InChIKey of 4-(2-tert-butylmorpholin-4-yl)butan-1-amine?
The InChIKey is LVCKEJHTUOQYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,3)11-10-14(8-9-15-11)7-5-4-6-13/h11H,4-10,13H2,1-3H3.
What are the key properties of 4-(2-tert-butylmorpholin-4-yl)butan-1-amine?
4-(2-tert-butylmorpholin-4-yl)butan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylmorpholin-4-yl)butan-1-amine is sourced from PubChem (CID 70646078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).